N-ethyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide

Systemtic Name: N-ethyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-N-ethyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: N-ethyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-N-ethyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: N-benzyl-N-ethyl-2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionamide Formula: C21H24N4O2S MolecularWeight: 396.50586

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C(=O)C(C)SC2=NNC(=N2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H24N4O2S/c1-4-25(14-16-8-6-5-7-9-16)20(26)15(2)28-21-22-19(23-24-21)17-10-12-18(27-3)13-11-17/h5-13,15H,4,14H2,1-3H3,(H,22,23,24)